Receptor
PDB id Resolution Class Description Source Keywords
6FX1 2.1 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF PHOLIOTA SQUARROSA LECTIN IN COMPLEX WI OCTASACCHARIDE PHOLIOTA SQUARROSA LECTIN OCTASACCHARIDE SUGAR BINDING PROTEIN
Ref.: RECOGNITION OF COMPLEX CORE-FUCOSYLATED N-GLYCANS B LECTIN. ANGEW. CHEM. INT. ED. ENGL. V. 57 10178 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MLI A:107;
D:107;
D:106;
H:105;
I:109;
E:108;
C:107;
B:109;
H:106;
K:105;
F:107;
D:108;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
102.046 C3 H2 O4 C(C(=...
OOA A:108;
 Invalid;
 none;
 submit data
158.195 C8 H14 O3 CCCCC...
C4W NAG FUC BMA MAN NAG X:1;
M:1;
R:1;
O:1;
 Valid;
Valid;
Valid;
Valid;
 Atoms found LESS than expected: % Diff = 0.026;
Atoms found LESS than expected: % Diff = 0.026;
none;
none;
 submit data
1098.04 n/a O=C(N...
C4W NAG FUC BMA T:1;
V:1;
W:1;
 Valid;
Valid;
Valid;
 Atoms found LESS than expected: % Diff = 0.038;
Atoms found LESS than expected: % Diff = 0.038;
Atoms found LESS than expected: % Diff = 0.038;
 submit data
732.71 n/a O=C(N...
C4W NAG FUC BMA MAN MAN NAG NAG N:1;
U:1;
 Valid;
Valid;
 Atoms found LESS than expected: % Diff = 0.02;
Atoms found LESS than expected: % Diff = 0.02;
 submit data
1463.38 n/a O=C(N...
C4W NAG FUC BMA MAN M:1;
 Valid;
 Atoms found LESS than expected: % Diff = 0.032;
 submit data
894.851 n/a O=C(N...
C4W NAG FUC BMA MAN MAN NAG S:1;
Q:1;
 Valid;
Valid;
 Atoms found LESS than expected: % Diff = 0.023;
none;
 submit data
1260.19 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6FX2 1.7 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF PHOLIOTA SQUARROSA LECTIN IN COMPLEX WI DECASACCHARIDE PHOLIOTA SQUARROSA LECTIN DECASACCHARIDE SUGAR BINDING PROTEIN
Ref.: RECOGNITION OF COMPLEX CORE-FUCOSYLATED N-GLYCANS B LECTIN. ANGEW. CHEM. INT. ED. ENGL. V. 57 10178 2018
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 6FX2 - C4W NAG FUC BMA MAN NAG GAL n/a n/a
2 6FX3 - C4W NAG FUC BMA MAN NAG GAL SIA n/a n/a
3 6FX1 - C4W NAG FUC BMA MAN NAG n/a n/a
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 6A87 - FUC C6 H12 O5 C[C@H]1[C@....
2 6FX2 - C4W NAG FUC BMA MAN NAG GAL n/a n/a
3 6FX3 - C4W NAG FUC BMA MAN NAG GAL SIA n/a n/a
4 6FX1 - C4W NAG FUC BMA MAN NAG n/a n/a
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 6A87 - FUC C6 H12 O5 C[C@H]1[C@....
2 6FX2 - C4W NAG FUC BMA MAN NAG GAL n/a n/a
3 6FX3 - C4W NAG FUC BMA MAN NAG GAL SIA n/a n/a
4 6FX1 - C4W NAG FUC BMA MAN NAG n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: C4W NAG FUC BMA MAN NAG; Similar ligands found: 70
No: Ligand ECFP6 Tc MDL keys Tc
1 C4W NAG FUC BMA MAN NAG 1 1
2 C4W NAG FUC BMA MAN MAN NAG 0.87963 1
3 C4W NAG FUC BMA MAN MAN NAG NAG 0.861111 1
4 C4W NAG FUC BMA 0.787879 1
5 C4W NAG FUC BMA MAN NAG GAL 0.747748 0.864407
6 C4W NAG FUC BMA MAN 0.722222 1
7 C4W NAG FUC BMA MAN MAN NAG GAL NAG 0.688525 0.864407
8 NAG NAG FUL BMA MAN MAN NAG GAL 0.617886 0.875
9 BMA MAN MAN NAG GAL NAG 0.596491 0.923077
10 NAG NAG BMA MAN MAN NAG GAL NAG 0.588235 0.942308
11 C4W NAG FUC BMA MAN NAG GAL SIA 0.587413 0.822581
12 NDG BMA MAN MAN NAG GAL NAG 0.579832 0.942308
13 C4W NAG FUC BMA MAN MAN NAG GAL SIA NAG 0.558442 0.822581
14 NDG NAG GLA NAG GLC RAM 0.545455 0.942308
15 NDG GLA NAG GLC RAM 0.545455 0.942308
16 NAG NAG BMA MAN MAN NAG NAG 0.540323 0.875
17 NAG BMA MAN MAN NAG GAL NAG GAL 0.537815 0.942308
18 NDG GLA GLC NAG GLC RAM 0.532258 0.942308
19 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.528 0.923077
20 BMA Z4Y NAG 0.527273 0.849057
21 NAG ASN NAG BMA MAN MAN NAG NAG 0.519084 0.945455
22 NDG BMA MAN MAN NAG MAN MAN 0.512 0.923077
23 MAN MAN MAN NAG NAG 0.508929 0.923077
24 ALA ASN LYS NAG NAG BMA MAN MAN NAG NAG 0.507576 0.927273
25 YZ0 MAN MAN NAG MAN 0.504274 0.867925
26 MMA MAN NAG MAN NAG NAG 0.5 0.924528
27 NAG NAG MAN MAN MAN 0.487395 0.923077
28 NAG NAG BMA MAN MAN MAN MAN 0.484615 0.857143
29 NAG NAG BMA MAN NAG 0.474576 0.942308
30 NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN 0.459677 0.865385
31 GYP GZL NAG 0.457627 0.821429
32 BGC GAL NGA 0.453704 0.865385
33 NAG NAG NAG NAG NAG NAG NAG NAG 0.45283 0.942308
34 NAG NAG NAG NAG NAG NAG 0.45283 0.942308
35 NDG NAG NAG NAG NAG 0.45283 0.942308
36 NAG NAG NAG NAG NAG 0.45283 0.942308
37 BGC GAL NAG NAG GAL GAL 0.45082 0.923077
38 MAN NAG GAL 0.449541 0.865385
39 NAG GAL BGC GAL 0.446429 0.865385
40 BGC FUC GAL NAG GAL 0.439024 0.884615
41 NAG NGT NAG 0.435897 0.790323
42 Z4S NAG NAG 0.434783 0.875
43 BGC GAL FUC A2G 0.429752 0.884615
44 YZ0 MAN Z4Y NAG MAN 0.428571 0.821429
45 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.428571 0.865385
46 GAL FUC A2G 0.428571 0.884615
47 BMA MAN NAG 0.428571 0.865385
48 NAG NAG NAG NAG NAG NAG NAG 0.424779 0.875
49 NAG NAG NAG 0.424779 0.875
50 NAG NAG NAG NAG 0.424779 0.875
51 MBG A2G 0.424528 0.867925
52 HSH A2G FUC 0.421488 0.783333
53 NAG GAL FUC A2G 0.419643 0.884615
54 GAL NAG GAL 0.419643 0.865385
55 NAG NAG BMA 0.417391 0.857143
56 GDL NAG 0.415094 0.923077
57 MAN MAN NAG 0.412281 0.833333
58 NAG NOJ NAG 0.410256 0.877193
59 NAG NOJ NAG NAG 0.410256 0.894737
60 MMA MAN NAG 0.40708 0.867925
61 BGC GAL GLA NGA 0.40678 0.865385
62 Z3Q NGA 0.405172 0.790323
63 GAL NAG GAL NAG GAL 0.401709 0.923077
64 NAG GAL NAG GAL 0.401709 0.923077
65 NAG GAL NAG GAL NAG GAL 0.401709 0.942308
66 AMV NAG AMU NAG 0.401639 0.943396
67 BGC FUC GAL NAG 0.401639 0.884615
68 UMG 0.401575 0.830508
69 NAG GAL FUC FUC A2G 0.4 0.942308
70 NAG FUC GAL FUC A2G 0.4 0.942308
Ligand no: 2; Ligand: C4W NAG FUC BMA; Similar ligands found: 79
No: Ligand ECFP6 Tc MDL keys Tc
1 C4W NAG FUC BMA 1 1
2 C4W NAG FUC BMA MAN 0.898876 1
3 C4W NAG FUC BMA MAN NAG 0.787879 1
4 C4W NAG FUC BMA MAN MAN NAG 0.754717 1
5 C4W NAG FUC BMA MAN MAN NAG NAG 0.703704 1
6 C4W NAG FUC BMA MAN NAG GAL 0.638889 0.864407
7 C4W NAG FUC BMA MAN MAN NAG GAL NAG 0.575 0.864407
8 NAG NAG FUL BMA MAN MAN NAG GAL 0.568965 0.875
9 NAG NAG MAN MAN MAN 0.553398 0.923077
10 BGC FUC GAL NAG GAL 0.538462 0.884615
11 MAN NAG GAL 0.532609 0.865385
12 GAL NAG GAL 0.526882 0.865385
13 NAG GAL BGC GAL 0.526316 0.865385
14 NAG NAG BMA 0.520833 0.857143
15 NAG GAL NAG GAL NAG GAL 0.5 0.942308
16 GAL NAG GAL NAG GAL 0.5 0.923077
17 NAG GAL NAG GAL 0.5 0.923077
18 BGC GAL NAG NAG GAL GAL 0.495327 0.923077
19 NAG NAG BMA MAN MAN MAN MAN 0.491525 0.857143
20 NDG GLA GLC NAG GLC RAM 0.491379 0.942308
21 NDG NAG GLA NAG GLC RAM 0.491228 0.942308
22 NDG GLA NAG GLC RAM 0.491228 0.942308
23 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.487179 0.923077
24 BMA MAN MAN NAG GAL NAG 0.486486 0.923077
25 NAG BMA MAN MAN NAG GAL NAG GAL 0.482143 0.942308
26 C4W NAG FUC BMA MAN NAG GAL SIA 0.478873 0.822581
27 NAG NAG BMA MAN 0.47619 0.857143
28 NAG NAG BMA MAN MAN NAG GAL NAG 0.470085 0.942308
29 NDG BMA MAN MAN NAG GAL NAG 0.461538 0.942308
30 TVD GAL 0.460674 0.942308
31 NAG GAL 0.460674 0.865385
32 NAG NAG NAG NAG NAG NAG NAG NAG 0.457447 0.942308
33 NAG NAG NAG NAG NAG 0.457447 0.942308
34 NAG NAG NAG NAG NAG NAG 0.457447 0.942308
35 NDG NAG NAG NAG NAG 0.457447 0.942308
36 NAG FUC GAL 0.453608 0.884615
37 NAG GAL FUC GLA 0.451923 0.884615
38 NDG BMA MAN MAN NAG MAN MAN 0.445378 0.923077
39 BGC GAL NGA 0.443299 0.865385
40 GAL NAG FUC GAL 0.442308 0.884615
41 BGC GAL NGA GAL 0.44 0.865385
42 GLA NAG FUC GAL 0.439252 0.867925
43 C4W NAG FUC BMA MAN MAN NAG GAL SIA NAG 0.43871 0.822581
44 Z4S NAG NAG 0.436893 0.875
45 NAG GAL FUC A2G 0.434343 0.884615
46 GAL FUC A2G 0.43 0.884615
47 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.429825 0.865385
48 NAG BMA MAN MAN MAN MAN 0.427273 0.865385
49 NAG NAG BMA MAN NAG 0.427273 0.942308
50 NAG NAG NAG NAG 0.425743 0.875
51 NAG NAG NAG NAG NAG NAG NAG 0.425743 0.875
52 NAG NAG NAG 0.425743 0.875
53 NAG NAG BMA BMA 0.424528 0.859649
54 BMA BMA BMA BMA GLA 0.42268 0.634615
55 NAG NAG NAG TMX 0.421569 0.833333
56 NAG GAL GAL 0.418367 0.865385
57 BGC GAL FUC A2G 0.418182 0.884615
58 BMA MAN NAG 0.415842 0.865385
59 GDL NAG 0.414894 0.923077
60 NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN 0.413793 0.865385
61 BGC FUC GAL NAG 0.412844 0.884615
62 NAG NGT NAG 0.411215 0.790323
63 MBG A2G 0.410526 0.867925
64 BMA MAN MAN MAN 0.41 0.660377
65 NAG NOJ NAG NAG 0.409524 0.894737
66 NAG NOJ NAG 0.409524 0.877193
67 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.408163 0.634615
68 YZ0 MAN MAN NAG MAN 0.40708 0.867925
69 BGC GAL NAG GAL FUC 0.40708 0.884615
70 NAG TA5 FUC 0.40566 0.695652
71 BGC GAL GLA NGA 0.40566 0.865385
72 BGC GAL NAG GAL FUC FUC 0.405172 0.903846
73 A2G GAL NAG 0.403846 0.923077
74 Z3Q NGA 0.403846 0.790323
75 NAG NAG BMA MAN MAN NAG NAG 0.403226 0.875
76 BGC GAL GLA NGA GAL 0.401869 0.865385
77 GLC GAL NAG GAL FUC GLA 0.401709 0.884615
78 BGC FUC GAL 0.4 0.653846
79 GLC BGC FUC GAL 0.4 0.653846
Ligand no: 3; Ligand: C4W NAG FUC BMA MAN MAN NAG NAG; Similar ligands found: 71
No: Ligand ECFP6 Tc MDL keys Tc
1 C4W NAG FUC BMA MAN MAN NAG NAG 1 1
2 C4W NAG FUC BMA MAN MAN NAG 0.926606 1
3 C4W NAG FUC BMA MAN NAG 0.861111 1
4 C4W NAG FUC BMA MAN MAN NAG GAL NAG 0.775 0.864407
5 C4W NAG FUC BMA MAN 0.738739 1
6 C4W NAG FUC BMA 0.703704 1
7 NAG NAG BMA MAN MAN NAG GAL NAG 0.675214 0.942308
8 NDG BMA MAN MAN NAG GAL NAG 0.666667 0.942308
9 NAG NAG FUL BMA MAN MAN NAG GAL 0.66129 0.875
10 NAG NAG BMA MAN MAN NAG NAG 0.65 0.875
11 C4W NAG FUC BMA MAN NAG GAL 0.647541 0.864407
12 NAG BMA MAN MAN NAG GAL NAG GAL 0.623932 0.942308
13 NAG ASN NAG BMA MAN MAN NAG NAG 0.622047 0.945455
14 BMA MAN MAN NAG GAL NAG 0.615385 0.923077
15 C4W NAG FUC BMA MAN MAN NAG GAL SIA NAG 0.614379 0.822581
16 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.609756 0.923077
17 ALA ASN LYS NAG NAG BMA MAN MAN NAG NAG 0.609375 0.927273
18 NDG BMA MAN MAN NAG MAN MAN 0.593496 0.923077
19 NAG NAG BMA MAN MAN MAN MAN 0.5625 0.857143
20 NAG NAG BMA MAN NAG 0.560345 0.942308
21 MAN MAN MAN NAG NAG 0.557522 0.923077
22 YZ0 MAN MAN NAG MAN 0.550847 0.867925
23 NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN 0.540984 0.865385
24 NAG NAG MAN MAN MAN 0.533333 0.923077
25 C4W NAG FUC BMA MAN NAG GAL SIA 0.519481 0.822581
26 MMA MAN NAG MAN NAG NAG 0.508475 0.924528
27 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.508065 0.865385
28 NDG NAG GLA NAG GLC RAM 0.503876 0.942308
29 NDG GLA NAG GLC RAM 0.503876 0.942308
30 BGC GAL NAG NAG GAL GAL 0.495935 0.923077
31 YZ0 MAN Z4Y NAG MAN 0.492424 0.821429
32 NDG GLA GLC NAG GLC RAM 0.492424 0.942308
33 BMA Z4Y NAG 0.470588 0.849057
34 MMA MAN NAG 0.469027 0.867925
35 BGC FUC GAL NAG GAL 0.460317 0.884615
36 BGC GAL NAG GAL FUC 0.452381 0.884615
37 GLC GAL NAG GAL FUC A2G 0.451128 0.942308
38 BGC FUC GAL NAG 0.447154 0.884615
39 BGC GAL GLA NGA 0.441667 0.865385
40 BGC GAL NAG GAL FUC FUC 0.438462 0.903846
41 NAG GAL NAG 0.435897 0.923077
42 BGC GAL FUC A2G 0.428571 0.884615
43 NAG BMA MAN MAN MAN MAN 0.425197 0.865385
44 GAL NAG GAL NAG GAL 0.425 0.923077
45 NAG GAL NAG GAL 0.425 0.923077
46 NAG GAL NAG GAL NAG GAL 0.425 0.942308
47 NDG NAG NAG NAG NAG 0.424779 0.942308
48 NAG NAG NAG NAG NAG 0.424779 0.942308
49 NAG NAG NAG NAG NAG NAG NAG NAG 0.424779 0.942308
50 NAG NAG NAG NAG NAG NAG 0.424779 0.942308
51 MAN MAN NAG 0.423729 0.833333
52 BGC GAL NAG 0.423729 0.865385
53 NAG GAL FUC A2G 0.418803 0.884615
54 BMA MAN NAG 0.415254 0.865385
55 GAL FUC A2G 0.415254 0.884615
56 1GN ACY GAL 1GN BGC ACY GAL BGC 0.414062 0.923077
57 BGC GAL NGA 0.413793 0.865385
58 NAG NGT NAG 0.41129 0.790323
59 MAN NAG GAL 0.410256 0.865385
60 Z4S NAG NAG 0.409836 0.875
61 HSH A2G FUC 0.409449 0.783333
62 BGC FUC GAL FUC A2G 0.409449 0.903846
63 NAG NAG BMA MAN 0.409449 0.857143
64 MAN BMA MAN MAN MAN MAN MAN 0.404762 0.641509
65 GLA NAG GAL FUC 0.403226 0.884615
66 GAL NAG GAL FUC FUC 0.401575 0.903846
67 NAG NAG NAG 0.4 0.875
68 NAG NAG NAG NAG 0.4 0.875
69 NAG NAG NAG NAG NAG NAG NAG 0.4 0.875
70 NAG GAL FUC FUC A2G 0.4 0.942308
71 NAG FUC GAL FUC A2G 0.4 0.942308
Ligand no: 4; Ligand: C4W NAG FUC BMA MAN; Similar ligands found: 74
No: Ligand ECFP6 Tc MDL keys Tc
1 C4W NAG FUC BMA MAN 1 1
2 C4W NAG FUC BMA 0.898876 1
3 C4W NAG FUC BMA MAN MAN NAG 0.805556 1
4 C4W NAG FUC BMA MAN MAN NAG NAG 0.738739 1
5 C4W NAG FUC BMA MAN NAG 0.722222 1
6 NAG NAG FUL BMA MAN MAN NAG GAL 0.618644 0.875
7 C4W NAG FUC BMA MAN MAN NAG GAL NAG 0.609756 0.864407
8 BGC FUC GAL NAG GAL 0.609524 0.884615
9 NAG NAG MAN MAN MAN 0.609524 0.923077
10 C4W NAG FUC BMA MAN NAG GAL 0.589744 0.864407
11 NAG GAL NAG GAL 0.575758 0.923077
12 NAG GAL NAG GAL NAG GAL 0.575758 0.942308
13 GAL NAG GAL NAG GAL 0.575758 0.923077
14 NAG NAG BMA MAN 0.561905 0.857143
15 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.537815 0.923077
16 BGC GAL NAG NAG GAL GAL 0.536364 0.923077
17 NAG NAG BMA MAN MAN MAN MAN 0.528926 0.857143
18 GAL NAG GAL 0.525253 0.865385
19 NAG BMA MAN MAN NAG GAL NAG GAL 0.521739 0.942308
20 NAG GAL GAL 0.510204 0.865385
21 NAG NAG BMA MAN MAN NAG GAL NAG 0.508333 0.942308
22 MAN NAG GAL 0.5 0.865385
23 NDG BMA MAN MAN NAG GAL NAG 0.5 0.942308
24 NDG BMA MAN MAN NAG MAN MAN 0.495868 0.923077
25 NAG NAG BMA MAN NAG 0.495495 0.942308
26 NDG GLA GLC NAG GLC RAM 0.491803 0.942308
27 NDG GLA NAG GLC RAM 0.491667 0.942308
28 NDG NAG GLA NAG GLC RAM 0.491667 0.942308
29 NAG BMA MAN MAN MAN MAN 0.482143 0.865385
30 BGC FUC GAL NAG 0.481818 0.884615
31 NAG GAL BGC GAL 0.480769 0.865385
32 BGC GAL GLA NGA 0.476636 0.865385
33 NAG NAG BMA 0.47619 0.857143
34 BMA MAN MAN NAG GAL NAG 0.474576 0.923077
35 BGC GAL NAG GAL FUC 0.473684 0.884615
36 BGC GAL GLA NGA GAL 0.472222 0.865385
37 NAG GAL NAG 0.471154 0.923077
38 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.470085 0.865385
39 BGC GAL NAG GAL FUC FUC 0.470085 0.903846
40 C4W NAG FUC BMA MAN MAN NAG GAL SIA NAG 0.468354 0.822581
41 GLC GAL NAG GAL FUC GLA 0.466102 0.884615
42 BGC GAL NAG GAL 0.462264 0.865385
43 GLC GAL NAG GAL FUC A2G 0.459016 0.942308
44 BGC GAL NAG 0.457143 0.865385
45 NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN 0.453782 0.865385
46 C4W NAG FUC BMA MAN NAG GAL SIA 0.450331 0.822581
47 GAL NAG FUC GAL 0.445455 0.884615
48 1GN ACY GAL 1GN BGC ACY GAL BGC 0.443478 0.923077
49 BMA MAN MAN MAN 0.442308 0.660377
50 NAG GAL FUC GLA 0.441441 0.884615
51 NAG NAG BMA BMA 0.441441 0.859649
52 NAG NAG BMA MAN MAN NAG NAG 0.440945 0.875
53 BMA MAN NAG 0.433962 0.865385
54 BGC GAL NGA GAL 0.429907 0.865385
55 NAG ASN NAG BMA MAN MAN NAG NAG 0.425373 0.945455
56 YZ0 MAN MAN NAG MAN 0.423729 0.867925
57 NAG GAL NAG GAL SIA 0.423358 0.909091
58 BGC GAL NAG GAL SIA 0.42029 0.909091
59 TVD GAL 0.418367 0.942308
60 NAG GAL 0.418367 0.865385
61 NDG NAG NAG NAG NAG 0.417476 0.942308
62 NAG NAG NAG NAG NAG NAG NAG NAG 0.417476 0.942308
63 NAG NAG NAG NAG NAG NAG 0.417476 0.942308
64 NAG NAG NAG NAG NAG 0.417476 0.942308
65 NAG FUC GAL 0.415094 0.884615
66 ALA ASN LYS NAG NAG BMA MAN MAN NAG NAG 0.414815 0.927273
67 BGC GAL FUC A2G 0.410256 0.884615
68 BGC BGC BGC BGC 0.409524 0.634615
69 GAL FUC A2G 0.407407 0.884615
70 BGC BGC BGC BGC BGC BGC BGC BGC 0.405941 0.634615
71 BGC GAL NGA 0.40566 0.865385
72 GLA NAG FUC GAL 0.405172 0.867925
73 Z4S NAG NAG 0.401786 0.875
74 NAG NAG NAG TMX 0.4 0.833333
Ligand no: 5; Ligand: C4W NAG FUC BMA MAN MAN NAG; Similar ligands found: 71
No: Ligand ECFP6 Tc MDL keys Tc
1 C4W NAG FUC BMA MAN MAN NAG 1 1
2 C4W NAG FUC BMA MAN MAN NAG NAG 0.926606 1
3 C4W NAG FUC BMA MAN NAG 0.87963 1
4 C4W NAG FUC BMA MAN 0.805556 1
5 C4W NAG FUC BMA MAN MAN NAG GAL NAG 0.77686 0.864407
6 C4W NAG FUC BMA 0.754717 1
7 NAG NAG FUL BMA MAN MAN NAG GAL 0.719008 0.875
8 C4W NAG FUC BMA MAN NAG GAL 0.691667 0.864407
9 NAG NAG BMA MAN MAN NAG GAL NAG 0.677966 0.942308
10 NDG BMA MAN MAN NAG GAL NAG 0.669492 0.942308
11 NAG BMA MAN MAN NAG GAL NAG GAL 0.627119 0.942308
12 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.626016 0.923077
13 BMA MAN MAN NAG GAL NAG 0.618644 0.923077
14 NDG BMA MAN MAN NAG MAN MAN 0.609756 0.923077
15 NAG NAG BMA MAN MAN NAG NAG 0.6 0.875
16 C4W NAG FUC BMA MAN MAN NAG GAL SIA NAG 0.596154 0.822581
17 NAG NAG MAN MAN MAN 0.589744 0.923077
18 NAG ASN NAG BMA MAN MAN NAG NAG 0.575758 0.945455
19 NAG NAG BMA MAN MAN MAN MAN 0.565891 0.857143
20 ALA ASN LYS NAG NAG BMA MAN MAN NAG NAG 0.56391 0.927273
21 NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN 0.544715 0.865385
22 BGC GAL NAG NAG GAL GAL 0.53719 0.923077
23 C4W NAG FUC BMA MAN NAG GAL SIA 0.532468 0.822581
24 YZ0 MAN MAN NAG MAN 0.528926 0.867925
25 NAG NAG BMA MAN NAG 0.525 0.942308
26 NDG NAG GLA NAG GLC RAM 0.51938 0.942308
27 NDG GLA NAG GLC RAM 0.51938 0.942308
28 NDG GLA GLC NAG GLC RAM 0.519084 0.942308
29 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.512 0.865385
30 MAN MAN MAN NAG NAG 0.508475 0.923077
31 BGC FUC GAL NAG GAL 0.5 0.884615
32 NAG BMA MAN MAN MAN MAN 0.475806 0.865385
33 MMA MAN NAG MAN NAG NAG 0.47541 0.924528
34 BMA Z4Y NAG 0.475 0.849057
35 YZ0 MAN Z4Y NAG MAN 0.474074 0.821429
36 GAL NAG GAL NAG GAL 0.466102 0.923077
37 NAG GAL NAG GAL NAG GAL 0.466102 0.942308
38 NAG GAL NAG GAL 0.466102 0.923077
39 NAG NAG BMA MAN 0.459677 0.857143
40 BGC GAL GLA NGA 0.458333 0.865385
41 MAN NAG GAL 0.452174 0.865385
42 BGC FUC GAL NAG 0.451613 0.884615
43 BGC GAL NAG GAL FUC 0.445312 0.884615
44 GLC GAL NAG GAL FUC A2G 0.444444 0.942308
45 1GN ACY GAL 1GN BGC ACY GAL BGC 0.440945 0.923077
46 NAG GAL NAG 0.440678 0.923077
47 BGC GAL NAG 0.440678 0.865385
48 NAG GAL BGC GAL 0.436975 0.865385
49 GAL NAG GAL 0.435897 0.865385
50 BMA MAN NAG 0.432203 0.865385
51 BGC GAL NAG GAL FUC FUC 0.431818 0.903846
52 BMA MAN MAN MAN 0.42735 0.660377
53 MMA MAN NAG 0.423729 0.867925
54 BGC GAL NGA 0.418803 0.865385
55 NDG NAG NAG NAG NAG 0.417391 0.942308
56 NAG NAG NAG NAG NAG 0.417391 0.942308
57 NAG NAG NAG NAG NAG NAG NAG NAG 0.417391 0.942308
58 NAG NAG NAG NAG NAG NAG 0.417391 0.942308
59 BMA NGT MAN MAN 0.414062 0.645161
60 BGC GAL FUC A2G 0.410853 0.884615
61 NAG GAL GAL 0.410256 0.865385
62 NAG NAG BMA 0.409836 0.857143
63 MAN BMA MAN MAN MAN MAN MAN 0.409449 0.641509
64 GAL FUC A2G 0.408333 0.884615
65 BGC GAL GLA NGA GAL 0.408 0.865385
66 GLC GAL NAG GAL FUC GLA 0.407407 0.884615
67 NAG NGT NAG 0.404762 0.790323
68 Z4S NAG NAG 0.403226 0.875
69 MAN MAN MAN MAN MAN MAN MAN 0.403226 0.634615
70 GYP GZL NAG 0.403101 0.821429
71 HSH A2G FUC 0.403101 0.783333
Similar Ligands (3D)
Ligand no: 1; Ligand: C4W NAG FUC BMA MAN NAG; Similar ligands found: 0
No: Ligand Similarity coefficient
Ligand no: 2; Ligand: C4W NAG FUC BMA; Similar ligands found: 0
No: Ligand Similarity coefficient
Ligand no: 3; Ligand: C4W NAG FUC BMA MAN MAN NAG NAG; Similar ligands found: 0
No: Ligand Similarity coefficient
Ligand no: 4; Ligand: C4W NAG FUC BMA MAN; Similar ligands found: 0
No: Ligand Similarity coefficient
Ligand no: 5; Ligand: C4W NAG FUC BMA MAN MAN NAG; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6FX2; Ligand: C4W NAG FUC BMA MAN NAG GAL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 6fx2.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
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